General Information of the Compound
| Compound ID |
CP0509461
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| Compound Name |
4-(3-cyanophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1cccc(c1)C#N)NC1CCCc2ccccc12
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| InChI |
InChI=1S/C27H34N4O/c28-21-22-8-6-11-24(20-22)31-18-16-30(17-19-31)15-5-1-2-14-27(32)29-26-13-7-10-23-9-3-4-12-25(23)26/h3-4,6,8-9,11-12,20,26H,1-2,5,7,10,13-19H2,(H,29,32)
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| InChIKey |
AQGOMYFVHABIMM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound